1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol

C16H34N2O2 — CID 60632781

IUPAC1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCCN1CCCC1CNCC(O)COC(C)CC(C)C
InChIInChI=1S/C16H34N2O2/c1-5-18-8-6-7-15(18)10-17-11-16(19)12-20-14(4)9-13(2)3/h13-17,19H,5-12H2,1-4H3
InChIKeyKBOAJJJIPDMDJO-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.87
Rot. Bonds10

About 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol

1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol (PubChem CID 60632781) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
PubChem CID60632781
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCCN1CCCC1CNCC(O)COC(C)CC(C)C
InChIInChI=1S/C16H34N2O2/c1-5-18-8-6-7-15(18)10-17-11-16(19)12-20-14(4)9-13(2)3/h13-17,19H,5-12H2,1-4H3
InChIKeyKBOAJJJIPDMDJO-UHFFFAOYSA-N
XLogP1.87
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol with MolForge

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Related Compounds

3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol
CID 3379940
1-(4-bromophenoxy)-3-[(1-ethylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 60632855
(2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 6358994
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]acetamide
CID 54938876
N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441091
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188
methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
CID 43180071
1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81396507
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol (CID 60632781) is 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol is CCN1CCCC1CNCC(O)COC(C)CC(C)C.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol?
The InChIKey is KBOAJJJIPDMDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-5-18-8-6-7-15(18)10-17-11-16(19)12-20-14(4)9-13(2)3/h13-17,19H,5-12H2,1-4H3.
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol?
1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol has a molecular weight of 286.46 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 60632781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).